C17H22N2O5S
TL;DR: C17H22N2O5S (CAS 903869-45-4) is a chemical compound with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(12,12-dimethyl-3,5-dioxo-6-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl)acetate
Also Known As: methyl 2-(1-isopropyl-6,6-dimethyl-2,4-dioxo-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(2H,4H,8H)-yl)acetate, methyl [6,6-dimethyl-2,4-dioxo-1-(propan-2-yl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetate
| Molecular Formula | C17H22N2O5S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 1.8299 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.12494 |
| Heavy Atoms | 25 |
| Complexity | 964.04425 |
Chemical Identifiers
| CAS Number | 903869-45-4 |
|---|---|
| SMILES | CC(C)N1C2=C(C3=C(S2)COC(C3)(C)C)C(=O)N(C1=O)CC(=O)OC |
Product Overview
C17H22N2O5S (CAS 903869-45-4), with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol. IUPAC: methyl 2-(12,12-dimethyl-3,5-dioxo-6-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl)acetate.
Chemical Property Profile of C17H22N2O5S
Property Insights of C17H22N2O5S
The XLogP value of 1.8299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H22N2O5S. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H22N2O5S. Following Lipinski's Rule of Five, C17H22N2O5S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C17H22N2O5S?
The CAS number of C17H22N2O5S is 903869-45-4.
What is the molecular formula of C17H22N2O5S?
The molecular formula of C17H22N2O5S is C17H22N2O5S.
What is the molecular weight of C17H22N2O5S?
The molecular weight of C17H22N2O5S is 366.12 g/mol.
Where can I buy C17H22N2O5S?
You can request a quote for C17H22N2O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H22N2O5S?
Yes, KEHONG BIO provides custom synthesis services for C17H22N2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.